Geometry & MOs

Info

ID:	68027
PubChem CID:	46507625
Reduced:	ClFNSO6H23C28 (1)
Stoich.:	ABCDE6F23G28 (1)
Weight, g/mol:	358.076513
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	6.33
IP(EA), eV:	-9.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(2,4-difluorophenyl)carbamoyl]chromen-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC)COC2=C(C(=NC3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F)C(=O)OC

DOS

IR

Vibrations